ロード中...

Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems

Models going beyond the rigid-rotor and the harmonic oscillator levels are mandatory for providing accurate theoretical predictions for several spectroscopic properties. Different strategies have been devised for this purpose. Among them, the treatment by perturbation theory of the molecular Hamilto...

詳細記述

保存先:
書誌詳細
出版年:Int J Quantum Chem
主要な著者: Piccardo, Matteo, Bloino, Julien, Barone, Vincenzo
フォーマット: Artigo
言語:Inglês
出版事項: Blackwell Publishing Ltd 2015
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC4553754/
https://ncbi.nlm.nih.gov/pubmed/26345131
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/qua.24931
タグ: タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!